3,5-Dimethyl-4-[3-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]phenyl]-1,2-oxazole | 1025053-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: 3,5-Dimethyl-4-[3-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]phenyl]-1,2-oxazole
• CAS: 1025053-76-2
• 化学式: C₂₂H₁₆F₃N₃O
• 分子量: 395.384
• InChiKey: DPLUKMMRMOVPQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  43.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(3-ethynylphenyl)-3,5-dimethylisoxazole 、 1-chloro-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 TEA 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 3,5-Dimethyl-4-[3-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]phenyl]-1,2-oxazole
  参考文献：
  名称：

  Phenylethynyl-pyrrolo[1,2-a]pyrazine: A new potent and selective tool in the mGluR5 antagonists arena

  摘要：

  The synthesis and the structure activity of a new series of pyrrolo[1,2- a] pyrazine is reported. These molecules are potent and selective non-competitive mGluR5 antagonists and may shed new light on the pattern of substitution tolerated by this receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.024

文献信息

• Phenylethynyl-pyrrolo[1,2-a]pyrazine: A new potent and selective tool in the mGluR5 antagonists arena
  作者：Fabrizio Micheli、Barbara Bertani、Andrea Bozzoli、Luca Crippa、Paolo Cavanni、Romano Di Fabio、Daniele Donati、Paola Marzorati、Giancarlo Merlo、Alfredo Paio、Lorenzo Perugini、Paola Zarantonello

  DOI：10.1016/j.bmcl.2008.02.024

  日期：2008.3

  The synthesis and the structure activity of a new series of pyrrolo[1,2- a] pyrazine is reported. These molecules are potent and selective non-competitive mGluR5 antagonists and may shed new light on the pattern of substitution tolerated by this receptor. (C) 2008 Elsevier Ltd. All rights reserved.